UCSF

ZINC49916965

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 17 No

Popular Name: (1,4,5,6-Tetrahydro-5-phenyl-2-pyrimidinyl)carbamic acid methyl ester; 2-((Methoxycarbonyl)amino)-5-phenyl-1,4,5,6-tetrahydropyrimidine; BRN 5752678; Carbamic acid, (1,4,5,6-tetrahydro-5-phenyl-2-pyrimidinyl)-, methyl ester; LS-50653 (1,4,5,6-Tetrahydro-5-phenyl-2-p…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.20 2.82 -47.13 1 5 -1 69 232.263 3 ↓
Mid Mid (pH 6-8) 1.57 3.4 -8.31 2 5 0 63 233.271 2 ↓
Mid Mid (pH 6-8) 1.57 2.63 -43.33 1 5 -1 65 232.263 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 4900 0.44 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 4900 0.44 Functional ≤ 10μM

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.